SCHEMBL1782848

SCHEMBL1782848

Nc1ncc2c(n1)CC(c1ccccc1F)CC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
HPGD P15428 5/20 0.56
GAA P10253 1/20 0.50
TSHR P16473 5/20 0.45
HSD17B10 Q99714 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP1 P29466 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1782829 0.86 ALDH1A1 (0.58) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL12003011 0.85 HPGD (0.59) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL10025782 0.85 MAPT (0.59) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1783346 0.85 ALDH1A1 (0.59) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL5464952 0.83 ALDH1A1 (0.53) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1780064 0.83 ALDH1A1 (0.55) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL5468640 0.83 ALDH1A1 (0.52) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1780049 0.82 ALDH1A1 (0.66) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1782024 0.81 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1782026 0.81 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP claimed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 ALDH1A1 1998/4885MAPT 296/4885TDP1 287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.